3-[2,3-bis(oxidanyl)propanoyloxycarbonyl]-5-octadecanoyloxy-3-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 3-[2,3-bis(oxidanyl)propanoyloxycarbonyl]-5-octadecanoyloxy-3-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 3-(2,3-dihydroxypropanoyloxycarbonyl)-3-hydroxy-5-octadecanoyloxy-5-oxo-pentanoic acid CAS Name: 3-[(2,3-dihydroxy-1-oxopropoxy)-oxomethyl]-3-hydroxy-5-oxo-5-(1-oxooctadecoxy)pentanoic acid IUPAC Name: 3-(2,3-dihydroxypropanoyloxycarbonyl)-3-hydroxy-5-octadecanoyloxy-5-oxopentanoic acid Traditional Name: 3-glyceroyloxycarbonyl-3-hydroxy-5-keto-5-stearoyloxy-valeric acid Formula: C27H46O11 MolecularWeight: 546.64754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(=O)CC(CC(=O)O)(C(=O)OC(=O)C(CO)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(=O)CC(CC(=O)O)(C(=O)OC(=O)C(CO)O)O

InChI

InChI=1S/C27H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(32)37-24(33)19-27(36,18-22(30)31)26(35)38-25(34)21(29)20-28/h21,28-29,36H,2-20H2,1H3,(H,30,31)